N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C17H18Cl2N4O2 — CID 109324672

IUPACN-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)cccc2Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-8-14(16(24)23-15-12(18)5-2-6-13(15)19)22-17(21-10)20-9-11-4-3-7-25-11/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyDGQQLQZPZBOSJU-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.94
Rot. Bonds5

About N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109324672) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109324672
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC NameN-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)cccc2Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-8-14(16(24)23-15-12(18)5-2-6-13(15)19)22-17(21-10)20-9-11-4-3-7-25-11/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyDGQQLQZPZBOSJU-UHFFFAOYSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324545
N-(2-ethylphenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324607
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324675
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782
6-methyl-N-(oxolan-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109324709
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324696
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300782
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109324672) is N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)nc(NCC2CCCO2)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is DGQQLQZPZBOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10-8-14(16(24)23-15-12(18)5-2-6-13(15)19)22-17(21-10)20-9-11-4-3-7-25-11/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).